chempirical

Ibudilast

C14H18N2OCAS 50847-11-5230.31 g/mol

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ONN
Ketone

Properties

Molecular formula
C14H18N2O
Molar mass
230.31 g/mol
Exact mass
230.1419 Da
Melting point
53.5–54 °C
logP
3.30Crippen estimate
Polar surface area
34.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
50847-11-5
SMILES
CC(C)C(=O)c1c(C(C)C)nn2ccccc12
InChIKey
ZJVFLBOZORBYFE-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3

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Names and synonyms

11 names
  • 1-Propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-
  • Pyrazolo[1,5-a]pyridine, 1-propanone deriv.
  • 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone
  • 2-Isopropyl-3-isobutyrylpyrazolo[1,5-a]pyridine
  • KC 404
  • Ketas
  • 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine
  • 1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one
  • AV 411
  • Pinatos
  • 2-Methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

Work with Ibudilast

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isobutyrophenone611-70-139 % similar Pyrazolo[1,5-A]pyridine-3-carboxylic acid16205-46-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Propyphenazone479-92-5 3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol57477-39-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook